DockMetrics
MOLECULAR DOCKING Inhibition Efficiency Index (IEI) and Selectivity Entropy Index (SEI)

Docking Result

CHEMBL1761683_dpp4

Atoms: 234
Models: 9
Best Energy: -8.388 kcal/mol

Binding Energies:
  • Pose 1: -8.388 kcal/mol
  • Pose 2: -8.185 kcal/mol
  • Pose 3: -8.052 kcal/mol
  • Pose 4: -7.84 kcal/mol
  • Pose 5: -7.5 kcal/mol
  • Pose 6: -7.448 kcal/mol
  • Pose 7: -7.402 kcal/mol
  • Pose 8: -7.113 kcal/mol
  • Pose 9: -7.083 kcal/mol
CHEMBL1761683_dpp4
Energy Plot
RMSD Scatter Plot